1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one

C19H24N2O2 — CID 143498438

IUPAC1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1/CC(=O)N(C)C1=C.CC.O=C1Cc2ccccc2N1
InChIInChI=1S/C9H11NO.C8H7NO.C2H6/c1-4-5-8-6-9(11)10(3)7(8)2;10-8-5-6-3-1-2-4-7(6)9-8;1-2/h4-5H,1-2,6H2,3H3;1-4H,5H2,(H,9,10);1-2H3/b8-5-;;
InChIKeyZLMRPBGMHZZXNP-XTKZWJJBSA-N
MW312.41 g/mol
LogP3.68
Rot. Bonds1

About 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one

1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one (PubChem CID 143498438) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one
PubChem CID143498438
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one
SMILESC=C/C=C1/CC(=O)N(C)C1=C.CC.O=C1Cc2ccccc2N1
InChIInChI=1S/C9H11NO.C8H7NO.C2H6/c1-4-5-8-6-9(11)10(3)7(8)2;10-8-5-6-3-1-2-4-7(6)9-8;1-2/h4-5H,1-2,6H2,3H3;1-4H,5H2,(H,9,10);1-2H3/b8-5-;;
InChIKeyZLMRPBGMHZZXNP-XTKZWJJBSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one?
The IUPAC name of 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one (CID 143498438) is 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one.
What is the SMILES notation for 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one?
The canonical SMILES for 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one is C=C/C=C1/CC(=O)N(C)C1=C.CC.O=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one?
The InChIKey is ZLMRPBGMHZZXNP-XTKZWJJBSA-N. The full InChI is InChI=1S/C9H11NO.C8H7NO.C2H6/c1-4-5-8-6-9(11)10(3)7(8)2;10-8-5-6-3-1-2-4-7(6)9-8;1-2/h4-5H,1-2,6H2,3H3;1-4H,5H2,(H,9,10);1-2H3/b8-5-;;.
What are the key properties of 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one?
1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one is sourced from PubChem (CID 143498438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).